CHEBI:81820 - cyenopyrafen

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ChEBI Name cyenopyrafen
Definition A member of the class of pyrazoles that is ethene in which the hydrogens at position 1 have been replaced by p-tert-butylphenyl and cyano groups, while the hydrogens at position 2 have been replaced by pivaloyloxy and 1,3,4-trimethylpyrazol-5-yl groups (the E isomer). A proacaricide (by hydrolysis of the pivalate ester linkage to give the corresponding enol), it was formerly used for the control of mites in fruit, vegetables and tea.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H31N3O2
Net Charge 0
Average Mass 393.523
Monoisotopic Mass 393.24163
InChI InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-
SMILES C1(=CC=C(C=C1)/C(=C(/C2=C(C(=NN2C)C)C)\OC(C(C)(C)C)=O)/C#N)C(C)(C)C
Roles Classification
Application(s): proacaricide
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proacaricide.
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing cyenopyrafen (CHEBI:81820) has role agrochemical (CHEBI:33286)
cyenopyrafen (CHEBI:81820) has role proacaricide (CHEBI:136647)
cyenopyrafen (CHEBI:81820) is a nitrile (CHEBI:18379)
cyenopyrafen (CHEBI:81820) is a pivalate ester (CHEBI:50784)
cyenopyrafen (CHEBI:81820) is a pyrazoles (CHEBI:26410)
(E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)vinyl pivalate
Synonyms Sources
(1E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate Alan Wood's Pesticides
(1E)-2-cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate Alan Wood's Pesticides
(E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethylpyrazol-5-yl)vinyl 2,2-dimethylpropionate Alan Wood's Pesticides
cyenopyrafène ChEBI
Manual Xrefs Databases
1685 PPDB
cyenopyrafen Alan Wood's Pesticides
WO2010134618 Patent
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Registry Numbers Types Sources
12648005 Reaxys Registry Number Reaxys
560121-52-0 CAS Registry Number ChemIDplus
560121-52-0 CAS Registry Number Alan Wood's Pesticides
Citations Waiting for Citations Types Sources
23997025 PubMed citation Europe PMC
24030907 PubMed citation Europe PMC
26118668 PubMed citation Europe PMC
26363294 PubMed citation Europe PMC
26449612 PubMed citation Europe PMC
Last Modified
28 March 2017